Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2cccs2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	KUOGVDSKRXZPEJ-UHFFFAOYSA-N
Molecular Formula	C61H35N7OS
Exact Mass	914.042 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KUOGVDSKRXZPEJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KUOGVDSKRXZPEJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:44.262333
MetadataModified	2024-09-07T16:28:42.461720
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453728	PubChem
The data in this table is sourced from UniChem at EBI.